6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol

C18H30O — CID 167438268

IUPAC6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC=C1C=C(C(C)(C)CC)C=C(C(C)(C)CC)C1O
InChIInChI=1S/C18H30O/c1-8-13-11-14(17(4,5)9-2)12-15(16(13)19)18(6,7)10-3/h8,11-12,16,19H,9-10H2,1-7H3
InChIKeyPKZHHVQGUOCWCS-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.03
Rot. Bonds4

About 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol

6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 167438268) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID167438268
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC=C1C=C(C(C)(C)CC)C=C(C(C)(C)CC)C1O
InChIInChI=1S/C18H30O/c1-8-13-11-14(17(4,5)9-2)12-15(16(13)19)18(6,7)10-3/h8,11-12,16,19H,9-10H2,1-7H3
InChIKeyPKZHHVQGUOCWCS-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol (CID 167438268) is 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol is CC=C1C=C(C(C)(C)CC)C=C(C(C)(C)CC)C1O.
What is the InChIKey of 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is PKZHHVQGUOCWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-8-13-11-14(17(4,5)9-2)12-15(16(13)19)18(6,7)10-3/h8,11-12,16,19H,9-10H2,1-7H3.
What are the key properties of 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 262.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-2,4-bis(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 167438268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).