(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

C19H34O — CID 18503894

IUPAC(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
SMILESCC(C)(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
InChIInChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16-,19-/m0/s1
InChIKeyLMJXVUUPTOQKFE-GNRYUNBRSA-N
MW278.48 g/mol
LogP4.88
Rot. Bonds1

About (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

(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 (PubChem CID 18503894) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18503894
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(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
SMILESCC(C)(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
InChIInChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16-,19-/m0/s1
InChIKeyLMJXVUUPTOQKFE-GNRYUNBRSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

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CID 103005
alpha-Caryophyllene alcohol
CID 521185
4-Hydroxy-1-(5-isocamphyl)cyclohexane
CID 106673
(-)-Isolongifolol
CID 12311096
(4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl)methanol
CID 572865
4-((1R,2R,4R)-born-2-yl)cyclohexanol
CID 106674
Decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulen-9-ol
CID 521200
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C.
What is the InChIKey of (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?
The InChIKey is LMJXVUUPTOQKFE-GNRYUNBRSA-N. The full InChI is InChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16-,19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 278.48 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 18503894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).