(2,8-diethylcycloocta-1,7-dien-1-yl)methanol

C13H22O — CID 91350727

IUPAC(2,8-diethylcycloocta-1,7-dien-1-yl)methanol
SMILESCCC1=CCCCCC(CC)=C1CO
InChIInChI=1S/C13H22O/c1-3-11-8-6-5-7-9-12(4-2)13(11)10-14/h8,14H,3-7,9-10H2,1-2H3
InChIKeyVQWCYVKQUFWALY-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.60
Rot. Bonds3

About (2,8-diethylcycloocta-1,7-dien-1-yl)methanol

(2,8-diethylcycloocta-1,7-dien-1-yl)methanol (PubChem CID 91350727) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2,8-diethylcycloocta-1,7-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,8-diethylcycloocta-1,7-dien-1-yl)methanol
PubChem CID91350727
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2,8-diethylcycloocta-1,7-dien-1-yl)methanol
SMILESCCC1=CCCCCC(CC)=C1CO
InChIInChI=1S/C13H22O/c1-3-11-8-6-5-7-9-12(4-2)13(11)10-14/h8,14H,3-7,9-10H2,1-2H3
InChIKeyVQWCYVKQUFWALY-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2,8-diethylcycloocta-1,7-dien-1-yl)methanol?
The IUPAC name of (2,8-diethylcycloocta-1,7-dien-1-yl)methanol (CID 91350727) is (2,8-diethylcycloocta-1,7-dien-1-yl)methanol.
What is the SMILES notation for (2,8-diethylcycloocta-1,7-dien-1-yl)methanol?
The canonical SMILES for (2,8-diethylcycloocta-1,7-dien-1-yl)methanol is CCC1=CCCCCC(CC)=C1CO.
What is the InChIKey of (2,8-diethylcycloocta-1,7-dien-1-yl)methanol?
The InChIKey is VQWCYVKQUFWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-11-8-6-5-7-9-12(4-2)13(11)10-14/h8,14H,3-7,9-10H2,1-2H3.
What are the key properties of (2,8-diethylcycloocta-1,7-dien-1-yl)methanol?
(2,8-diethylcycloocta-1,7-dien-1-yl)methanol has a molecular weight of 194.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-diethylcycloocta-1,7-dien-1-yl)methanol is sourced from PubChem (CID 91350727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).