1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane

C10H16 — CID 5316892

IUPAC1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane
SMILESC=C(C)/C=C/C1CC1(C)C
InChIInChI=1S/C10H16/c1-8(2)5-6-9-7-10(9,3)4/h5-6,9H,1,7H2,2-4H3/b6-5+
InChIKeyRESIMHRPGANVBX-AATRIKPKSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane

1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane (PubChem CID 5316892) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane
PubChem CID5316892
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane
SMILESC=C(C)/C=C/C1CC1(C)C
InChIInChI=1S/C10H16/c1-8(2)5-6-9-7-10(9,3)4/h5-6,9H,1,7H2,2-4H3/b6-5+
InChIKeyRESIMHRPGANVBX-AATRIKPKSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 10581
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trans-Dihydroocimene
CID 5463450
Striatene
CID 91750200
2Z,4E-alpha-ionylideneethane
CID 101760128
3,7-Dimethyl-1,3-octadiene
CID 92255
(5R,6S)-1,5,6-trimethyl-6-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexene
CID 44254447
Di-tert-butylcyclopentadiene
CID 3599405
trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane
CID 11275098
trans-(1R,2R)-1-ethenyl-2-[(1E,3E)-hexa-1,3-dienyl]cyclopropane
CID 12491368
(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 53310786
3-Ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 76006796

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane?
The IUPAC name of 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane (CID 5316892) is 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane is C=C(C)/C=C/C1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane?
The InChIKey is RESIMHRPGANVBX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)5-6-9-7-10(9,3)4/h5-6,9H,1,7H2,2-4H3/b6-5+.
What are the key properties of 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane?
1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane is sourced from PubChem (CID 5316892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).