1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol

C13H26O — CID 138691641

IUPAC1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol
SMILESCCC(O)C1(C)C(C)CCCC1(C)C
InChIInChI=1S/C13H26O/c1-6-11(14)13(5)10(2)8-7-9-12(13,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyVWEMTHYWIHTMPQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds2

About 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol

1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol (PubChem CID 138691641) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol
PubChem CID138691641
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol
SMILESCCC(O)C1(C)C(C)CCCC1(C)C
InChIInChI=1S/C13H26O/c1-6-11(14)13(5)10(2)8-7-9-12(13,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyVWEMTHYWIHTMPQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol?
The IUPAC name of 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol (CID 138691641) is 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol?
The canonical SMILES for 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol is CCC(O)C1(C)C(C)CCCC1(C)C.
What is the InChIKey of 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol?
The InChIKey is VWEMTHYWIHTMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-11(14)13(5)10(2)8-7-9-12(13,3)4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol?
1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,6-tetramethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 138691641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).