(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol

C15H26O — CID 124775126

IUPAC(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol
SMILESC[C@H]1C[C@@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C15H26O/c1-9-5-10(2)15(16)14(6-9)13-8-11-3-4-12(13)7-11/h9-16H,3-8H2,1-2H3/t9-,10+,11+,12+,13+,14+,15+/m1/s1
InChIKeyWXWPEVYZHHMRRH-OAXDCTPSSA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds1

About (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol

(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol (PubChem CID 124775126) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol
PubChem CID124775126
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol
SMILESC[C@H]1C[C@@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C15H26O/c1-9-5-10(2)15(16)14(6-9)13-8-11-3-4-12(13)7-11/h9-16H,3-8H2,1-2H3/t9-,10+,11+,12+,13+,14+,15+/m1/s1
InChIKeyWXWPEVYZHHMRRH-OAXDCTPSSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol (CID 124775126) is (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol is C[C@H]1C[C@@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@@H](O)[C@@H](C)C1.
What is the InChIKey of (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol?
The InChIKey is WXWPEVYZHHMRRH-OAXDCTPSSA-N. The full InChI is InChI=1S/C15H26O/c1-9-5-10(2)15(16)14(6-9)13-8-11-3-4-12(13)7-11/h9-16H,3-8H2,1-2H3/t9-,10+,11+,12+,13+,14+,15+/m1/s1.
What are the key properties of (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol?
(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 124775126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).