(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene

C15H24 — CID 140797649

IUPAC(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene
SMILESCC(C)/C=C/C1=C/C(=C/C(C)C)CCC1
InChIInChI=1S/C15H24/c1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h8-13H,5-7H2,1-4H3/b9-8+,15-10+
InChIKeyNNQNXVAGENWODI-RQADFKIXSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds3

About (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene

(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene (PubChem CID 140797649) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene.

Molecular Properties

Compound Name(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene
PubChem CID140797649
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene
SMILESCC(C)/C=C/C1=C/C(=C/C(C)C)CCC1
InChIInChI=1S/C15H24/c1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h8-13H,5-7H2,1-4H3/b9-8+,15-10+
InChIKeyNNQNXVAGENWODI-RQADFKIXSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(cyclohexen-1-yl)-3-methylpent-4-en-1-ol
CID 141189091
methyl (5S)-8-[3-[(3R,4R)-3,4-dihydroxynon-1-enyl]cyclohex-2-en-1-ylidene]-5-hydroxyoct-6-enoate
CID 91221953
1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
CID 145498345
2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
CID 11437785
2-deuteriobut-2-ene;2-deuterio-3-ethylidene-1-prop-1-enylcyclohexene
CID 91338520
methyl (E,5S,8Z)-5-hydroxy-8-[3-[(E,4R)-4-hydroxynon-1-enyl]cyclohex-2-en-1-ylidene]oct-6-enoate
CID 134358325
1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
CID 101087117
1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
CID 67988300
4-(3-methylbut-1-enyl)phenol
CID 57250794
[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
CID 134985320
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
CID 140611088
1-[(3E)-4,4-dimethyl-3-(2-methylpropylidene)cyclohexen-1-yl]ethanone
CID 25111931

Frequently Asked Questions

What is the IUPAC name of (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene?
The IUPAC name of (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene (CID 140797649) is (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene.
What is the SMILES notation for (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene?
The canonical SMILES for (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene is CC(C)/C=C/C1=C/C(=C/C(C)C)CCC1.
What is the InChIKey of (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene?
The InChIKey is NNQNXVAGENWODI-RQADFKIXSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h8-13H,5-7H2,1-4H3/b9-8+,15-10+.
What are the key properties of (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene?
(3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropylidene)cyclohexene is sourced from PubChem (CID 140797649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).