heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane

C82H192O11 — CID 159612822

About heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane

heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane (PubChem CID 159612822) has the molecular formula C82H192O11 and a molecular weight of 1354.43 g/mol. Its IUPAC name is heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane.

Molecular Properties

• Compound Name: heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane
• PubChem CID: 159612822
• Molecular Formula: C82H192O11
• Molecular Weight: 1354.43 g/mol
• Exact Mass: 1353.45
• IUPAC Name: heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane
• SMILES: CCC(C)CCOC.CCC(C)COC.CCCC(C)COC.CCCCC.CCCCC(C)COC.CCCCCC.CCCCCC(C)COC.CCCCCCC.CCCCCCC(C)COC.COC.COC.COC.COCC(C)C.COCCC(C)C
• InChI: InChI=1S/C10H22O.C9H20O.C8H18O.2C7H16O.C7H16.2C6H14O.C6H14.C5H12O.C5H12.3C2H6O/c1-4-5-6-7-8-10(2)9-11-3;1-4-5-6-7-9(2)8-10-3;1-4-5-6-8(2)7-9-3;1-4-7(2)5-6-8-3;1-4-5-7(2)6-8-3;1-3-5-7-6-4-2;1-6(2)4-5-7-3;1-4-6(2)5-7-3;1-3-5-6-4-2;1-5(2)4-6-3;1-3-5-4-2;3*1-3-2/h10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;3-7H2,1-2H3;2*6H,4-5H2,1-3H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;3*1-2H3
• InChIKey: MMXLZGAPQRIGSD-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 43
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.43
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane?

The IUPAC name of heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane (CID 159612822) is heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane.

What is the SMILES notation for heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane?

The canonical SMILES for heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane is CCC(C)CCOC.CCC(C)COC.CCCC(C)COC.CCCCC.CCCCC(C)COC.CCCCCC.CCCCCC(C)COC.CCCCCCC.CCCCCCC(C)COC.COC.COC.COC.COCC(C)C.COCCC(C)C.

What is the InChIKey of heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane?

The InChIKey is MMXLZGAPQRIGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C9H20O.C8H18O.2C7H16O.C7H16.2C6H14O.C6H14.C5H12O.C5H12.3C2H6O/c1-4-5-6-7-8-10(2)9-11-3;1-4-5-6-7-9(2)8-10-3;1-4-5-6-8(2)7-9-3;1-4-7(2)5-6-8-3;1-4-5-7(2)6-8-3;1-3-5-7-6-4-2;1-6(2)4-5-7-3;1-4-6(2)5-7-3;1-3-5-6-4-2;1-5(2)4-6-3;1-3-5-4-2;3*1-3-2/h10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;3-7H2,1-2H3;2*6H,4-5H2,1-3H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;3*1-2H3.

What are the key properties of heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane?

heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane has a molecular weight of 1354.43 g/mol, XLogP of 25.88, 43 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane is sourced from PubChem (CID 159612822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).