(4-propan-2-ylcyclohexyl)methanetriol

C10H20O3 — CID 134694408

IUPAC(4-propan-2-ylcyclohexyl)methanetriol
SMILESCC(C)C1CCC(C(O)(O)O)CC1
InChIInChI=1S/C10H20O3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h7-9,11-13H,3-6H2,1-2H3
InChIKeyQYRMALBZJAQWHB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.08
Rot. Bonds2

About (4-propan-2-ylcyclohexyl)methanetriol

(4-propan-2-ylcyclohexyl)methanetriol (PubChem CID 134694408) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)methanetriol.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)methanetriol
PubChem CID134694408
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(4-propan-2-ylcyclohexyl)methanetriol
SMILESCC(C)C1CCC(C(O)(O)O)CC1
InChIInChI=1S/C10H20O3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h7-9,11-13H,3-6H2,1-2H3
InChIKeyQYRMALBZJAQWHB-UHFFFAOYSA-N
XLogP1.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)methanetriol?
The IUPAC name of (4-propan-2-ylcyclohexyl)methanetriol (CID 134694408) is (4-propan-2-ylcyclohexyl)methanetriol.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)methanetriol?
The canonical SMILES for (4-propan-2-ylcyclohexyl)methanetriol is CC(C)C1CCC(C(O)(O)O)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)methanetriol?
The InChIKey is QYRMALBZJAQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h7-9,11-13H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)methanetriol?
(4-propan-2-ylcyclohexyl)methanetriol has a molecular weight of 188.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)methanetriol is sourced from PubChem (CID 134694408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).