(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol

C14H24O — CID 6504386

IUPAC(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
SMILESCC1=C(/C=C(\C)C(C)O)C(C)(C)CCC1
InChIInChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3/b11-9+
InChIKeyRGCSRKQFSSXYRE-PKNBQFBNSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds2

About (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol

(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol (PubChem CID 6504386) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
PubChem CID6504386
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
SMILESCC1=C(/C=C(\C)C(C)O)C(C)(C)CCC1
InChIInChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3/b11-9+
InChIKeyRGCSRKQFSSXYRE-PKNBQFBNSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The IUPAC name of (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol (CID 6504386) is (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol is CC1=C(/C=C(\C)C(C)O)C(C)(C)CCC1.
What is the InChIKey of (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The InChIKey is RGCSRKQFSSXYRE-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3/b11-9+.
What are the key properties of (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol is sourced from PubChem (CID 6504386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).