[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol

C16H20O2 — CID 160995177

IUPAC[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol
SMILESC=C1CCC2=C1C1C=C(CO)[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O2/c1-10-4-5-11-7-12-3-2-6-16(12)13(9-17)8-14(18-16)15(10)11/h8,12,14,17H,1-7,9H2/t12-,14?,16+/m0/s1
InChIKeyNFSDLZWSSCWFFK-RAAOQPIXSA-N
MW244.33 g/mol
LogP2.89
Rot. Bonds1

About [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol

[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol (PubChem CID 160995177) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol
PubChem CID160995177
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol
SMILESC=C1CCC2=C1C1C=C(CO)[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O2/c1-10-4-5-11-7-12-3-2-6-16(12)13(9-17)8-14(18-16)15(10)11/h8,12,14,17H,1-7,9H2/t12-,14?,16+/m0/s1
InChIKeyNFSDLZWSSCWFFK-RAAOQPIXSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.89
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,8S,12R)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-8-ol
CID 162091707
(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995173
(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995176
(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)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol?
The IUPAC name of [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol (CID 160995177) is [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol.
What is the SMILES notation for [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol?
The canonical SMILES for [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol is C=C1CCC2=C1C1C=C(CO)[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol?
The InChIKey is NFSDLZWSSCWFFK-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-4-5-11-7-12-3-2-6-16(12)13(9-17)8-14(18-16)15(10)11/h8,12,14,17H,1-7,9H2/t12-,14?,16+/m0/s1.
What are the key properties of [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol?
[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol has a molecular weight of 244.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-14-yl]methanol is sourced from PubChem (CID 160995177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).