(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol

C15H18O2 — CID 162091707

IUPAC(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol
SMILESC=C1C[C@H](O)C2=C1[C@H]1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C15H18O2/c1-9-7-12(16)11-8-10-3-2-5-15(10)6-4-13(17-15)14(9)11/h4,6,10,12-13,16H,1-3,5,7-8H2/t10-,12-,13+,15-/m0/s1
InChIKeyZDRYAYJGQHQPBU-DNVSUFBTSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds

About (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol

(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol (PubChem CID 162091707) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol.

Molecular Properties

Compound Name(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol
PubChem CID162091707
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol
SMILESC=C1C[C@H](O)C2=C1[C@H]1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C15H18O2/c1-9-7-12(16)11-8-10-3-2-5-15(10)6-4-13(17-15)14(9)11/h4,6,10,12-13,16H,1-3,5,7-8H2/t10-,12-,13+,15-/m0/s1
InChIKeyZDRYAYJGQHQPBU-DNVSUFBTSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995173
[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol
CID 160995177
(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213678

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol?
The IUPAC name of (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol (CID 162091707) is (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol.
What is the SMILES notation for (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol?
The canonical SMILES for (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol is C=C1C[C@H](O)C2=C1[C@H]1C=C[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol?
The InChIKey is ZDRYAYJGQHQPBU-DNVSUFBTSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-7-12(16)11-8-10-3-2-5-15(10)6-4-13(17-15)14(9)11/h4,6,10,12-13,16H,1-3,5,7-8H2/t10-,12-,13+,15-/m0/s1.
What are the key properties of (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol?
(1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol has a molecular weight of 230.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol is sourced from PubChem (CID 162091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).