(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene

C15H22O — CID 134855581

IUPAC(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene
SMILESC=C1C2C=C[C@H](OC)C1C1CCCCCC21
InChIInChI=1S/C15H22O/c1-10-11-8-9-14(16-2)15(10)13-7-5-3-4-6-12(11)13/h8-9,11-15H,1,3-7H2,2H3/t11?,12?,13?,14-,15?/m0/s1
InChIKeyYDWJJCDSHCUJCQ-IHXHZNKUSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds1

About (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene

(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene (PubChem CID 134855581) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene.

Molecular Properties

Compound Name(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene
PubChem CID134855581
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene
SMILESC=C1C2C=C[C@H](OC)C1C1CCCCCC21
InChIInChI=1S/C15H22O/c1-10-11-8-9-14(16-2)15(10)13-7-5-3-4-6-12(11)13/h8-9,11-15H,1,3-7H2,2H3/t11?,12?,13?,14-,15?/m0/s1
InChIKeyYDWJJCDSHCUJCQ-IHXHZNKUSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
(1S,3R,4S,7S,12R)-3,10-bis(ethenyl)-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929907
(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
CID 155930658
(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
CID 155930659
4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454480
6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
CID 23454483
2-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
CID 23454484
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 23454494
4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454495
2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454497
6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 23454499
4-methyl-6-[(2,2,3-trimethylcyclopentyl)methyl]-3,6-dihydro-2H-pyran
CID 24990789

Frequently Asked Questions

What is the IUPAC name of (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene?
The IUPAC name of (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene (CID 134855581) is (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene.
What is the SMILES notation for (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene?
The canonical SMILES for (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene is C=C1C2C=C[C@H](OC)C1C1CCCCCC21.
What is the InChIKey of (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene?
The InChIKey is YDWJJCDSHCUJCQ-IHXHZNKUSA-N. The full InChI is InChI=1S/C15H22O/c1-10-11-8-9-14(16-2)15(10)13-7-5-3-4-6-12(11)13/h8-9,11-15H,1,3-7H2,2H3/t11?,12?,13?,14-,15?/m0/s1.
What are the key properties of (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene?
(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene has a molecular weight of 218.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene is sourced from PubChem (CID 134855581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).