(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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Related Compounds

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2,3,4-trimethylcyclohept-2-en-1-one
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1-methyl-2-propan-2-ylidenecyclopentane
CID 57092492
N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
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[7-(2,3-dimethylcyclohexen-1-yl)-3-methyl-5-methylidene-7-oxoheptyl] hypoiodite;ethane;ethene
CID 142558049
N-(2,3-dimethylcyclohexen-1-yl)-N-propan-2-ylethanethioamide
CID 174319614
2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
CID 141361227
1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
CID 170619792
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,2,3,6-tetramethylcyclohexene
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CID 142725909

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).