[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol

C15H24O2 — CID 10847443

IUPAC[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
SMILESCC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1
InChIInChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1
InChIKeyMSHMJMYAOOCXCW-VNLLDLMDSA-N
MW236.35 g/mol
LogP3.36
Rot. Bonds1

About [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol

[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol (PubChem CID 10847443) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
PubChem CID10847443
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
SMILESCC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1
InChIInChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1
InChIKeyMSHMJMYAOOCXCW-VNLLDLMDSA-N
XLogP3.36
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R,5R,8E,12E,15R)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
CID 162978416
14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
CID 72825347
(1R,3R,5S,8Z,12E,14R,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
CID 162846533
(1S,3S,5R,15R,18R)-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
CID 162957229
(1S,3S,5R,8E,12E,14S,15S,18S)-14-hydroxy-5-(hydroxymethyl)-18-(methoxymethyl)-9,13-dimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
CID 163192865
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 14336535
1-hydroxy-11-(hydroxymethyl)-3,7-dimethyl-15-methylidene-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-14-one
CID 74405782
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(1R)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-ol
CID 162923508
(1S,2R,4R,7E)-12-(hydroxymethyl)-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-13-one
CID 14466147

Frequently Asked Questions

What is the IUPAC name of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The IUPAC name of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol (CID 10847443) is [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol.
What is the SMILES notation for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The canonical SMILES for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol is CC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1.
What is the InChIKey of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The InChIKey is MSHMJMYAOOCXCW-VNLLDLMDSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1.
What are the key properties of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol is sourced from PubChem (CID 10847443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).