1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C11H22O2 — CID 19844421

IUPAC1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CO)C1
InChIInChI=1S/C11H22O2/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,12-13H,4-7H2,1-3H3
InChIKeyPDUNBNXSWVWPOG-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.80
Rot. Bonds2

About 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 19844421) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID19844421
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CO)C1
InChIInChI=1S/C11H22O2/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,12-13H,4-7H2,1-3H3
InChIKeyPDUNBNXSWVWPOG-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 19844421) is 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CO)C1.
What is the InChIKey of 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is PDUNBNXSWVWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 19844421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).