1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene

C16H28 — CID 170705699

IUPAC1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene
SMILESC=C(C)C1=C(C(CC)CCC)CCCCC1
InChIInChI=1S/C16H28/c1-5-10-14(6-2)16-12-9-7-8-11-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeySPXVHTCPJKBKDD-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.65
Rot. Bonds5

About 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene

1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene (PubChem CID 170705699) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene.

Molecular Properties

Compound Name1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene
PubChem CID170705699
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene
SMILESC=C(C)C1=C(C(CC)CCC)CCCCC1
InChIInChI=1S/C16H28/c1-5-10-14(6-2)16-12-9-7-8-11-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeySPXVHTCPJKBKDD-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1-heptan-4-yl-4-prop-1-en-2-ylbenzene
CID 144559861
1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
CID 144672215
1-(2-but-1-en-2-ylcyclohexen-1-yl)prop-2-yn-1-ol
CID 101454555
3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 166956382
1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol
CID 139238751
1-hexan-3-yl-2,3-dimethylcyclopropene
CID 123742761
3-methylhexane;2-methylprop-1-ene
CID 165405684
N-[(2-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine
CID 166001519
(2-prop-1-en-2-ylcyclohexen-1-yl) acetate
CID 101216460
1-octan-3-yl-4-prop-1-en-2-ylbenzene
CID 144723929
cyclohexane;pentan-2-ol
CID 67677243

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene?
The IUPAC name of 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene (CID 170705699) is 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene.
What is the SMILES notation for 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene?
The canonical SMILES for 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene is C=C(C)C1=C(C(CC)CCC)CCCCC1.
What is the InChIKey of 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene?
The InChIKey is SPXVHTCPJKBKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-5-10-14(6-2)16-12-9-7-8-11-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3.
What are the key properties of 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene?
1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene has a molecular weight of 220.40 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2-prop-1-en-2-ylcycloheptene is sourced from PubChem (CID 170705699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).