(3-tert-butyl-4-methoxycyclohexyl)methanol

C12H24O2 — CID 22121374

IUPAC(3-tert-butyl-4-methoxycyclohexyl)methanol
SMILESCOC1CCC(CO)CC1C(C)(C)C
InChIInChI=1S/C12H24O2/c1-12(2,3)10-7-9(8-13)5-6-11(10)14-4/h9-11,13H,5-8H2,1-4H3
InChIKeyPVCBBUOUYOKAAS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.46
Rot. Bonds2

About (3-tert-butyl-4-methoxycyclohexyl)methanol

(3-tert-butyl-4-methoxycyclohexyl)methanol (PubChem CID 22121374) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3-tert-butyl-4-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-4-methoxycyclohexyl)methanol
PubChem CID22121374
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3-tert-butyl-4-methoxycyclohexyl)methanol
SMILESCOC1CCC(CO)CC1C(C)(C)C
InChIInChI=1S/C12H24O2/c1-12(2,3)10-7-9(8-13)5-6-11(10)14-4/h9-11,13H,5-8H2,1-4H3
InChIKeyPVCBBUOUYOKAAS-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-methoxycyclohexyl)methanol?
The IUPAC name of (3-tert-butyl-4-methoxycyclohexyl)methanol (CID 22121374) is (3-tert-butyl-4-methoxycyclohexyl)methanol.
What is the SMILES notation for (3-tert-butyl-4-methoxycyclohexyl)methanol?
The canonical SMILES for (3-tert-butyl-4-methoxycyclohexyl)methanol is COC1CCC(CO)CC1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-4-methoxycyclohexyl)methanol?
The InChIKey is PVCBBUOUYOKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,3)10-7-9(8-13)5-6-11(10)14-4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of (3-tert-butyl-4-methoxycyclohexyl)methanol?
(3-tert-butyl-4-methoxycyclohexyl)methanol has a molecular weight of 200.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-methoxycyclohexyl)methanol is sourced from PubChem (CID 22121374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).