2-(3-methoxycyclohexyl)pentan-3-ol

C12H24O2 — CID 79436910

IUPAC2-(3-methoxycyclohexyl)pentan-3-ol
SMILESCCC(O)C(C)C1CCCC(OC)C1
InChIInChI=1S/C12H24O2/c1-4-12(13)9(2)10-6-5-7-11(8-10)14-3/h9-13H,4-8H2,1-3H3
InChIKeyFIIVWRMPJBLVID-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 2-(3-methoxycyclohexyl)pentan-3-ol

2-(3-methoxycyclohexyl)pentan-3-ol (PubChem CID 79436910) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)pentan-3-ol.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)pentan-3-ol
PubChem CID79436910
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(3-methoxycyclohexyl)pentan-3-ol
SMILESCCC(O)C(C)C1CCCC(OC)C1
InChIInChI=1S/C12H24O2/c1-4-12(13)9(2)10-6-5-7-11(8-10)14-3/h9-13H,4-8H2,1-3H3
InChIKeyFIIVWRMPJBLVID-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)pentan-3-ol?
The IUPAC name of 2-(3-methoxycyclohexyl)pentan-3-ol (CID 79436910) is 2-(3-methoxycyclohexyl)pentan-3-ol.
What is the SMILES notation for 2-(3-methoxycyclohexyl)pentan-3-ol?
The canonical SMILES for 2-(3-methoxycyclohexyl)pentan-3-ol is CCC(O)C(C)C1CCCC(OC)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)pentan-3-ol?
The InChIKey is FIIVWRMPJBLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-12(13)9(2)10-6-5-7-11(8-10)14-3/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-(3-methoxycyclohexyl)pentan-3-ol?
2-(3-methoxycyclohexyl)pentan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)pentan-3-ol is sourced from PubChem (CID 79436910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).