(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

C18H32O — CID 99979364

IUPAC(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESC[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H](O)C[C@@H]1C
InChIInChI=1S/C18H32O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h11-16,19H,6-10H2,1-5H3/t11-,12+,13+,14-,15-,16-,18-/m1/s1
InChIKeyUNCFQTHQEXAQIY-CKHLVINASA-N
MW264.45 g/mol
LogP4.49
Rot. Bonds1

About (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 99979364) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID99979364
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESC[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H](O)C[C@@H]1C
InChIInChI=1S/C18H32O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h11-16,19H,6-10H2,1-5H3/t11-,12+,13+,14-,15-,16-,18-/m1/s1
InChIKeyUNCFQTHQEXAQIY-CKHLVINASA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 99979364) is (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is C[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H](O)C[C@@H]1C.
What is the InChIKey of (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is UNCFQTHQEXAQIY-CKHLVINASA-N. The full InChI is InChI=1S/C18H32O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h11-16,19H,6-10H2,1-5H3/t11-,12+,13+,14-,15-,16-,18-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
(1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S)-4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 99979364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).