(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol

C20H32O2 — CID 162873810

IUPAC(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
SMILESC=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2
InChIInChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1
InChIKeySOCRUWBAQPJTHY-DZPINKAOSA-N
MW304.47 g/mol
LogP4.80
Rot. Bonds1

About (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol

(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol (PubChem CID 162873810) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol.

Molecular Properties

Compound Name(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
PubChem CID162873810
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
SMILESC=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2
InChIInChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1
InChIKeySOCRUWBAQPJTHY-DZPINKAOSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol?
The IUPAC name of (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol (CID 162873810) is (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol.
What is the SMILES notation for (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol?
The canonical SMILES for (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol is C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C/C=C\[C@]2(C)CC[C@H]1O2.
What is the InChIKey of (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol?
The InChIKey is SOCRUWBAQPJTHY-DZPINKAOSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6,9,12-13,15,17-18,21H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6-,13-9+/t17-,18-,19+,20-/m1/s1.
What are the key properties of (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol?
(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol has a molecular weight of 304.47 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol is sourced from PubChem (CID 162873810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).