hept-1-ene;styrene

C15H22 — CID 163533806

IUPAChept-1-ene;styrene
SMILESC=CCCCCC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H14/c1-2-8-6-4-3-5-7-8;1-3-5-7-6-4-2/h2-7H,1H2;3H,1,4-7H2,2H3
InChIKeyDVFSSNZTMAGKHO-UHFFFAOYSA-N
MW202.34 g/mol
LogP5.08
Rot. Bonds5

About hept-1-ene;styrene

hept-1-ene;styrene (PubChem CID 163533806) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is hept-1-ene;styrene.

Molecular Properties

Compound Namehept-1-ene;styrene
PubChem CID163533806
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Namehept-1-ene;styrene
SMILESC=CCCCCC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H14/c1-2-8-6-4-3-5-7-8;1-3-5-7-6-4-2/h2-7H,1H2;3H,1,4-7H2,2H3
InChIKeyDVFSSNZTMAGKHO-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 169085427
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CID 158403421
tetradec-13-en-7-ylbenzene
CID 140694824
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
benzene-1,4-diol;hept-1-ene
CID 158567201
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Frequently Asked Questions

What is the IUPAC name of hept-1-ene;styrene?
The IUPAC name of hept-1-ene;styrene (CID 163533806) is hept-1-ene;styrene.
What is the SMILES notation for hept-1-ene;styrene?
The canonical SMILES for hept-1-ene;styrene is C=CCCCCC.C=Cc1ccccc1.
What is the InChIKey of hept-1-ene;styrene?
The InChIKey is DVFSSNZTMAGKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H14/c1-2-8-6-4-3-5-7-8;1-3-5-7-6-4-2/h2-7H,1H2;3H,1,4-7H2,2H3.
What are the key properties of hept-1-ene;styrene?
hept-1-ene;styrene has a molecular weight of 202.34 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ene;styrene is sourced from PubChem (CID 163533806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).