(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol

C15H26O — CID 101048453

IUPAC(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol
SMILESC[C@@H]1CCC2C3C(C)(C)C[C@]2(C)CC[C@]31O
InChIInChI=1S/C15H26O/c1-10-5-6-11-12-13(2,3)9-14(11,4)7-8-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14+,15-/m1/s1
InChIKeyJHDRSBFWLKWPRQ-AEMIBAHXSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol

(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol (PubChem CID 101048453) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol.

Molecular Properties

Compound Name(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol
PubChem CID101048453
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol
SMILESC[C@@H]1CCC2C3C(C)(C)C[C@]2(C)CC[C@]31O
InChIInChI=1S/C15H26O/c1-10-5-6-11-12-13(2,3)9-14(11,4)7-8-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14+,15-/m1/s1
InChIKeyJHDRSBFWLKWPRQ-AEMIBAHXSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol?
The IUPAC name of (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol (CID 101048453) is (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol.
What is the SMILES notation for (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol?
The canonical SMILES for (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol is C[C@@H]1CCC2C3C(C)(C)C[C@]2(C)CC[C@]31O.
What is the InChIKey of (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol?
The InChIKey is JHDRSBFWLKWPRQ-AEMIBAHXSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-6-11-12-13(2,3)9-14(11,4)7-8-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14+,15-/m1/s1.
What are the key properties of (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol?
(1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,11R)-4,6,6,11-tetramethyltricyclo[5.4.0.04,8]undecan-1-ol is sourced from PubChem (CID 101048453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).