(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C15H28O — CID 115808331

IUPAC(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1CCCC(C(O)C2C(C)(C)C2(C)C)C1
InChIInChI=1S/C15H28O/c1-10-7-6-8-11(9-10)12(16)13-14(2,3)15(13,4)5/h10-13,16H,6-9H2,1-5H3
InChIKeyPSZQVJFERLIQJH-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.86
Rot. Bonds2

About (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 115808331) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID115808331
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1CCCC(C(O)C2C(C)(C)C2(C)C)C1
InChIInChI=1S/C15H28O/c1-10-7-6-8-11(9-10)12(16)13-14(2,3)15(13,4)5/h10-13,16H,6-9H2,1-5H3
InChIKeyPSZQVJFERLIQJH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 115808331) is (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is CC1CCCC(C(O)C2C(C)(C)C2(C)C)C1.
What is the InChIKey of (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is PSZQVJFERLIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10-7-6-8-11(9-10)12(16)13-14(2,3)15(13,4)5/h10-13,16H,6-9H2,1-5H3.
What are the key properties of (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 224.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 115808331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).