2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol

C16H28O — CID 18503899

IUPAC2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2CCO
InChIInChI=1S/C16H28O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h11-14,17H,4-10H2,1-3H3/t11-,12+,13-,14+,16-/m1/s1
InChIKeyZZRJRBHQEYRVDV-YMSVYLFOSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds2

About 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol

2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol (PubChem CID 18503899) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol
PubChem CID18503899
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2CCO
InChIInChI=1S/C16H28O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h11-14,17H,4-10H2,1-3H3/t11-,12+,13-,14+,16-/m1/s1
InChIKeyZZRJRBHQEYRVDV-YMSVYLFOSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol with MolForge

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Related Compounds

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(-)-Longiborneol
CID 162623237
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CID 18503890
(1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
CID 18503893

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol?
The IUPAC name of 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol (CID 18503899) is 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol.
What is the SMILES notation for 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol?
The canonical SMILES for 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol is CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2CCO.
What is the InChIKey of 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol?
The InChIKey is ZZRJRBHQEYRVDV-YMSVYLFOSA-N. The full InChI is InChI=1S/C16H28O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h11-14,17H,4-10H2,1-3H3/t11-,12+,13-,14+,16-/m1/s1.
What are the key properties of 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol?
2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol has a molecular weight of 236.40 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 2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]ethanol is sourced from PubChem (CID 18503899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).