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

C18H32O — CID 18503893

IUPAC(1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
InChIInChI=1S/C18H32O/c1-11(2)16(19)15-12-7-8-13-14(12)17(3,4)9-6-10-18(13,15)5/h11-16,19H,6-10H2,1-5H3/t12-,13+,14-,15+,16+,18-/m0/s1
InChIKeySEYIQKOHINNOGC-DCXPXDSUSA-N
MW264.45 g/mol
LogP4.49
Rot. Bonds2

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

(1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol (PubChem CID 18503893) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1R)-2-methyl-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(1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
PubChem CID18503893
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
InChIInChI=1S/C18H32O/c1-11(2)16(19)15-12-7-8-13-14(12)17(3,4)9-6-10-18(13,15)5/h11-16,19H,6-10H2,1-5H3/t12-,13+,14-,15+,16+,18-/m0/s1
InChIKeySEYIQKOHINNOGC-DCXPXDSUSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-2-methyl-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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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-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 (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) is (1R)-2-methyl-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 (1R)-2-methyl-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 (1R)-2-methyl-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@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C.
What is the InChIKey of (1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol?
The InChIKey is SEYIQKOHINNOGC-DCXPXDSUSA-N. The full InChI is InChI=1S/C18H32O/c1-11(2)16(19)15-12-7-8-13-14(12)17(3,4)9-6-10-18(13,15)5/h11-16,19H,6-10H2,1-5H3/t12-,13+,14-,15+,16+,18-/m0/s1.
What are the key properties of (1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]propan-1-ol?
(1R)-2-methyl-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 264.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-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 18503893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).