1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene

C17H26 — CID 173285425

IUPAC1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene
SMILESC/C=C(/CC)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C17H26/c1-7-14(8-2)17-10-15(12(3)4)9-16(11-17)13(5)6/h7,9-13H,8H2,1-6H3/b14-7-
InChIKeyVOFRRRQYFPYWNT-AUWJEWJLSA-N
MW230.39 g/mol
LogP5.75
Rot. Bonds4

About 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene

1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene (PubChem CID 173285425) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene
PubChem CID173285425
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene
SMILESC/C=C(/CC)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C17H26/c1-7-14(8-2)17-10-15(12(3)4)9-16(11-17)13(5)6/h7,9-13H,8H2,1-6H3/b14-7-
InChIKeyVOFRRRQYFPYWNT-AUWJEWJLSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen
CID 163256307
2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid
CID 59987712
1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene
CID 173174943
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
3,5-di(propan-2-yl)benzoic acid
CID 11958988
ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate
CID 176992667
3,5-di(propan-2-yl)benzenecarboperoxoic acid
CID 175573389
1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
CID 162469287
2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
CID 90154949
N,3,5-tri(propan-2-yl)benzamide
CID 168742850

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene (CID 173285425) is 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene is C/C=C(/CC)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene?
The InChIKey is VOFRRRQYFPYWNT-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H26/c1-7-14(8-2)17-10-15(12(3)4)9-16(11-17)13(5)6/h7,9-13H,8H2,1-6H3/b14-7-.
What are the key properties of 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene?
1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene has a molecular weight of 230.39 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 173285425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).