3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

C13H26O2 — CID 66733631

IUPAC3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC(C)C1C(C)CCCC1OCCCO
InChIInChI=1S/C13H26O2/c1-10(2)13-11(3)6-4-7-12(13)15-9-5-8-14/h10-14H,4-9H2,1-3H3
InChIKeySWBIHPPJTNGHGK-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (PubChem CID 66733631) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
PubChem CID66733631
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC(C)C1C(C)CCCC1OCCCO
InChIInChI=1S/C13H26O2/c1-10(2)13-11(3)6-4-7-12(13)15-9-5-8-14/h10-14H,4-9H2,1-3H3
InChIKeySWBIHPPJTNGHGK-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (CID 66733631) is 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is CC(C)C1C(C)CCCC1OCCCO.
What is the InChIKey of 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The InChIKey is SWBIHPPJTNGHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)13-11(3)6-4-7-12(13)15-9-5-8-14/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 66733631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).