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

C15H26O — CID 78265163

IUPAC[(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol
SMILESCC1(C)CCC[C@]2(C)C(CO)[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12?,13+,15+/m1/s1
InChIKeyVZJHQHUOVIDRCF-UEUNCZIASA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds1

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

[(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol (PubChem CID 78265163) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol
PubChem CID78265163
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol
SMILESCC1(C)CCC[C@]2(C)C(CO)[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12?,13+,15+/m1/s1
InChIKeyVZJHQHUOVIDRCF-UEUNCZIASA-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

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

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Related Compounds

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CID 521185
(-)-Isolongifolol
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CID 572865
Octahydro-4,7-methano-1H-indene-2-methanol
CID 98106
Decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulen-9-ol
CID 521200
Tricyclodecanemethanol
CID 93698
Bicyclo(2.2.1)heptane-2-methanol, alpha,3,3-trimethyl-
CID 106672
(1S,2R,6S,7R)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol
CID 14038123
(-)-Longiborneol
CID 162623237
(1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
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
(1S)-2,2-dimethyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
CID 18503894

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol?
The IUPAC name of [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol (CID 78265163) is [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol.
What is the SMILES notation for [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol?
The canonical SMILES for [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol is CC1(C)CCC[C@]2(C)C(CO)[C@H]3CC[C@@H]2[C@H]31.
What is the InChIKey of [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol?
The InChIKey is VZJHQHUOVIDRCF-UEUNCZIASA-N. The full InChI is InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12?,13+,15+/m1/s1.
What are the key properties of [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol?
[(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol 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 [(1R,2S,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]methanol is sourced from PubChem (CID 78265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).