(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran

C16H24O — CID 14889937

IUPAC(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran
SMILESC=C1O[C@@H](C2=CCCC2)[C@@H]2[C@@H](CC[C@H]2C)[C@@H]1C
InChIInChI=1S/C16H24O/c1-10-8-9-14-11(2)12(3)17-16(15(10)14)13-6-4-5-7-13/h6,10-11,14-16H,3-5,7-9H2,1-2H3/t10-,11-,14+,15+,16+/m1/s1
InChIKeyWTTBLCMOKPWEQV-VMICZAGFSA-N
MW232.37 g/mol
LogP4.31
Rot. Bonds1

About (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran

(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran (PubChem CID 14889937) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran.

Molecular Properties

Compound Name(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran
PubChem CID14889937
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran
SMILESC=C1O[C@@H](C2=CCCC2)[C@@H]2[C@@H](CC[C@H]2C)[C@@H]1C
InChIInChI=1S/C16H24O/c1-10-8-9-14-11(2)12(3)17-16(15(10)14)13-6-4-5-7-13/h6,10-11,14-16H,3-5,7-9H2,1-2H3/t10-,11-,14+,15+,16+/m1/s1
InChIKeyWTTBLCMOKPWEQV-VMICZAGFSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran with MolForge

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Related Compounds

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CID 23454481
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CID 88106607
Oxatricyclo[6,2,1,0 4,9]undec-2-ene
CID 129738300
(1S,2R,3S,6R,7S,8R)-3,6-dimethoxytricyclo[6.2.1.02,7]undeca-4,9-diene
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CID 134931522
2,2,6-trimethyl-4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran
CID 135081121
(2R,5S,6S)-3-but-3-enyl-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155930560
10-Epi-italicene ether
CID 91747401

Frequently Asked Questions

What is the IUPAC name of (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran?
The IUPAC name of (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran (CID 14889937) is (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran.
What is the SMILES notation for (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran?
The canonical SMILES for (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran is C=C1O[C@@H](C2=CCCC2)[C@@H]2[C@@H](CC[C@H]2C)[C@@H]1C.
What is the InChIKey of (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran?
The InChIKey is WTTBLCMOKPWEQV-VMICZAGFSA-N. The full InChI is InChI=1S/C16H24O/c1-10-8-9-14-11(2)12(3)17-16(15(10)14)13-6-4-5-7-13/h6,10-11,14-16H,3-5,7-9H2,1-2H3/t10-,11-,14+,15+,16+/m1/s1.
What are the key properties of (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran?
(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran has a molecular weight of 232.37 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-3-methylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran is sourced from PubChem (CID 14889937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).