(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene

C11H18 — CID 170619549

IUPAC(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=C(C)[C@@H](C)CCC1
InChIInChI=1S/C11H18/c1-8(2)11-7-5-6-9(3)10(11)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyPFEFJGIIKZLQGH-VIFPVBQESA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds1

About (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene

(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene (PubChem CID 170619549) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
PubChem CID170619549
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1=C(C)[C@@H](C)CCC1
InChIInChI=1S/C11H18/c1-8(2)11-7-5-6-9(3)10(11)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyPFEFJGIIKZLQGH-VIFPVBQESA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene?
The IUPAC name of (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene (CID 170619549) is (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene is C=C(C)C1=C(C)[C@@H](C)CCC1.
What is the InChIKey of (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene?
The InChIKey is PFEFJGIIKZLQGH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-7-5-6-9(3)10(11)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1.
What are the key properties of (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene?
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 170619549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).