(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol

C13H22O — CID 11788800

IUPAC(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol
SMILESCC1=CCCC(C)(C)/C1=C/CC(C)O
InChIInChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,8,11,14H,5,7,9H2,1-4H3/b12-8+
InChIKeyBNZGHWQRSDLGKB-XYOKQWHBSA-N
MW194.32 g/mol
LogP3.45
Rot. Bonds2

About (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol

(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol (PubChem CID 11788800) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol.

Molecular Properties

Compound Name(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol
PubChem CID11788800
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol
SMILESCC1=CCCC(C)(C)/C1=C/CC(C)O
InChIInChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,8,11,14H,5,7,9H2,1-4H3/b12-8+
InChIKeyBNZGHWQRSDLGKB-XYOKQWHBSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol?
The IUPAC name of (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol (CID 11788800) is (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol.
What is the SMILES notation for (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol?
The canonical SMILES for (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol is CC1=CCCC(C)(C)/C1=C/CC(C)O.
What is the InChIKey of (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol?
The InChIKey is BNZGHWQRSDLGKB-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,8,11,14H,5,7,9H2,1-4H3/b12-8+.
What are the key properties of (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol?
(4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol has a molecular weight of 194.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)butan-2-ol is sourced from PubChem (CID 11788800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).