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

C18H32O — CID 98137939

IUPAC(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-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-MIJZHBPMSA-N
MW264.45 g/mol
LogP4.49
Rot. Bonds1

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

(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 98137939) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID98137939
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-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-MIJZHBPMSA-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 (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol with MolForge

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Related Compounds

(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
4-methyl-3-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328518
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
2-ethoxy-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328497
3-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328466
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
trans-(1R,3R)-3-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99645764
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
3-methyl-5-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328383
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 98137939) is (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-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 (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is UNCFQTHQEXAQIY-MIJZHBPMSA-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 (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
(1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-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 (1S,2S,4R,5R)-4,5-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 98137939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).