6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol

C19H26O — CID 144627891

IUPAC6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol
SMILESOC1=C(C2=CCCC=C2)CCC=C1C1CCCCCC1
InChIInChI=1S/C19H26O/c20-19-17(15-9-4-1-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h6,11-13,15,20H,1-5,7-10,14H2
InChIKeyHJHSBWJNBWSULN-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.77
Rot. Bonds2

About 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol

6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol (PubChem CID 144627891) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol
PubChem CID144627891
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol
SMILESOC1=C(C2=CCCC=C2)CCC=C1C1CCCCCC1
InChIInChI=1S/C19H26O/c20-19-17(15-9-4-1-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h6,11-13,15,20H,1-5,7-10,14H2
InChIKeyHJHSBWJNBWSULN-UHFFFAOYSA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89328023
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N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline
CID 145100479
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CID 11073761
1-propan-2-yl-1,2,6,7-tetrahydronaphthalene
CID 101316535
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
1,2,6,7-tetrahydronaphthalene
CID 15128067
cyclohexa-1,5-dien-1-yloxycycloheptane;ethane
CID 178142033
(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
CID 173204255
(7aS)-1,2,5,6,7,7a-hexahydroinden-4-one
CID 130737213
1-cyclobutylcyclobutene
CID 556361

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol (CID 144627891) is 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol is OC1=C(C2=CCCC=C2)CCC=C1C1CCCCCC1.
What is the InChIKey of 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is HJHSBWJNBWSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c20-19-17(15-9-4-1-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h6,11-13,15,20H,1-5,7-10,14H2.
What are the key properties of 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol?
6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-2-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 144627891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).