methanol;molecular hydrogen;3-pentyl-1H-indene

C15H26O — CID 143205744

IUPACmethanol;molecular hydrogen;3-pentyl-1H-indene
SMILESCCCCCC1=CCc2ccccc21.CO.[H][H].[H][H]
InChIInChI=1S/C14H18.CH4O.2H2/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2;;/h5-6,8-10H,2-4,7,11H2,1H3;2H,1H3;2*1H
InChIKeyNDEOUOLDIVSYRV-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.31
Rot. Bonds4

About methanol;molecular hydrogen;3-pentyl-1H-indene

methanol;molecular hydrogen;3-pentyl-1H-indene (PubChem CID 143205744) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is methanol;molecular hydrogen;3-pentyl-1H-indene.

Molecular Properties

Compound Namemethanol;molecular hydrogen;3-pentyl-1H-indene
PubChem CID143205744
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namemethanol;molecular hydrogen;3-pentyl-1H-indene
SMILESCCCCCC1=CCc2ccccc21.CO.[H][H].[H][H]
InChIInChI=1S/C14H18.CH4O.2H2/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2;;/h5-6,8-10H,2-4,7,11H2,1H3;2H,1H3;2*1H
InChIKeyNDEOUOLDIVSYRV-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;molecular hydrogen;3-pentyl-1H-indene?
The IUPAC name of methanol;molecular hydrogen;3-pentyl-1H-indene (CID 143205744) is methanol;molecular hydrogen;3-pentyl-1H-indene.
What is the SMILES notation for methanol;molecular hydrogen;3-pentyl-1H-indene?
The canonical SMILES for methanol;molecular hydrogen;3-pentyl-1H-indene is CCCCCC1=CCc2ccccc21.CO.[H][H].[H][H].
What is the InChIKey of methanol;molecular hydrogen;3-pentyl-1H-indene?
The InChIKey is NDEOUOLDIVSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.CH4O.2H2/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;1-2;;/h5-6,8-10H,2-4,7,11H2,1H3;2H,1H3;2*1H.
What are the key properties of methanol;molecular hydrogen;3-pentyl-1H-indene?
methanol;molecular hydrogen;3-pentyl-1H-indene has a molecular weight of 222.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;molecular hydrogen;3-pentyl-1H-indene is sourced from PubChem (CID 143205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).