(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol

C20H32O — CID 23428085

IUPAC(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol
SMILESCC(C)=CC/C=C(/C)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@]12O
InChIInChI=1S/C20H32O/c1-13(2)7-6-8-14(3)16-10-11-19(5)18(16)17-15(4)9-12-20(17,19)21/h7-8,15-18,21H,6,9-12H2,1-5H3/b14-8-/t15-,16+,17+,18+,19+,20-/m1/s1
InChIKeyABBBIIRUFWQHEW-KKOSVCOISA-N
MW288.48 g/mol
LogP5.11
Rot. Bonds3

About (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol

(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol (PubChem CID 23428085) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol
PubChem CID23428085
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol
SMILESCC(C)=CC/C=C(/C)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@]12O
InChIInChI=1S/C20H32O/c1-13(2)7-6-8-14(3)16-10-11-19(5)18(16)17-15(4)9-12-20(17,19)21/h7-8,15-18,21H,6,9-12H2,1-5H3/b14-8-/t15-,16+,17+,18+,19+,20-/m1/s1
InChIKeyABBBIIRUFWQHEW-KKOSVCOISA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol?
The IUPAC name of (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol (CID 23428085) is (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol.
What is the SMILES notation for (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol?
The canonical SMILES for (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol is CC(C)=CC/C=C(/C)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H]1[C@H](C)CC[C@@]12O.
What is the InChIKey of (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol?
The InChIKey is ABBBIIRUFWQHEW-KKOSVCOISA-N. The full InChI is InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)16-10-11-19(5)18(16)17-15(4)9-12-20(17,19)21/h7-8,15-18,21H,6,9-12H2,1-5H3/b14-8-/t15-,16+,17+,18+,19+,20-/m1/s1.
What are the key properties of (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol?
(1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,7S,8R)-2,8-dimethyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.3.0.02,6]decan-1-ol is sourced from PubChem (CID 23428085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).