[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane

C19H36O — CID 67672052

IUPAC[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane
SMILESC=C(OC)C(C)(C)CCC(CCC)CC1CCCCC1
InChIInChI=1S/C19H36O/c1-6-10-17(15-18-11-8-7-9-12-18)13-14-19(3,4)16(2)20-5/h17-18H,2,6-15H2,1,3-5H3
InChIKeyDLWOTCNCNUBWIE-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.34
Rot. Bonds9

About [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane

[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane (PubChem CID 67672052) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane.

Molecular Properties

Compound Name[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane
PubChem CID67672052
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane
SMILESC=C(OC)C(C)(C)CCC(CCC)CC1CCCCC1
InChIInChI=1S/C19H36O/c1-6-10-17(15-18-11-8-7-9-12-18)13-14-19(3,4)16(2)20-5/h17-18H,2,6-15H2,1,3-5H3
InChIKeyDLWOTCNCNUBWIE-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane?
The IUPAC name of [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane (CID 67672052) is [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane.
What is the SMILES notation for [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane?
The canonical SMILES for [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane is C=C(OC)C(C)(C)CCC(CCC)CC1CCCCC1.
What is the InChIKey of [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane?
The InChIKey is DLWOTCNCNUBWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-6-10-17(15-18-11-8-7-9-12-18)13-14-19(3,4)16(2)20-5/h17-18H,2,6-15H2,1,3-5H3.
What are the key properties of [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane?
[(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane has a molecular weight of 280.50 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-methoxy-5,5-dimethyl-2-propylhept-6-enyl]cyclohexane is sourced from PubChem (CID 67672052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).