2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene

C30H42O — CID 139860632

IUPAC2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
SMILESCCC/C=C/C1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C30H42O/c1-3-4-5-6-23-9-14-26(15-10-23)27-16-11-24(12-17-27)7-8-25-13-18-29-22-30(31-2)20-19-28(29)21-25/h5-6,13,18-24,26-27H,3-4,7-12,14-17H2,1-2H3/b6-5+
InChIKeyBEVCPAWTVTXIBC-AATRIKPKSA-N
MW418.67 g/mol
LogP8.75
Rot. Bonds8

About 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene

2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (PubChem CID 139860632) has the molecular formula C30H42O and a molecular weight of 418.67 g/mol. Its IUPAC name is 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
PubChem CID139860632
Molecular FormulaC30H42O
Molecular Weight418.67 g/mol
Exact Mass418.32
IUPAC Name2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
SMILESCCC/C=C/C1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C30H42O/c1-3-4-5-6-23-9-14-26(15-10-23)27-16-11-24(12-17-27)7-8-25-13-18-29-22-30(31-2)20-19-28(29)21-25/h5-6,13,18-24,26-27H,3-4,7-12,14-17H2,1-2H3/b6-5+
InChIKeyBEVCPAWTVTXIBC-AATRIKPKSA-N
XLogP8.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?
The IUPAC name of 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (CID 139860632) is 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene is CCC/C=C/C1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1.
What is the InChIKey of 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?
The InChIKey is BEVCPAWTVTXIBC-AATRIKPKSA-N. The full InChI is InChI=1S/C30H42O/c1-3-4-5-6-23-9-14-26(15-10-23)27-16-11-24(12-17-27)7-8-25-13-18-29-22-30(31-2)20-19-28(29)21-25/h5-6,13,18-24,26-27H,3-4,7-12,14-17H2,1-2H3/b6-5+.
What are the key properties of 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene has a molecular weight of 418.67 g/mol, XLogP of 8.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139860632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).