7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene

C19H34 — CID 90977490

IUPAC7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
SMILESC=C(CCCCC)C1CCCC2CCCCC2CC1
InChIInChI=1S/C19H34/c1-3-4-5-9-16(2)17-12-8-13-18-10-6-7-11-19(18)15-14-17/h17-19H,2-15H2,1H3
InChIKeyRQTYPGOZXZUAGN-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.51
Rot. Bonds5

About 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene

7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene (PubChem CID 90977490) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene.

Molecular Properties

Compound Name7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
PubChem CID90977490
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
SMILESC=C(CCCCC)C1CCCC2CCCCC2CC1
InChIInChI=1S/C19H34/c1-3-4-5-9-16(2)17-12-8-13-18-10-6-7-11-19(18)15-14-17/h17-19H,2-15H2,1H3
InChIKeyRQTYPGOZXZUAGN-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.51
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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azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
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CID 91145533
2-hept-1-en-2-ylcyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene?
The IUPAC name of 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene (CID 90977490) is 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene.
What is the SMILES notation for 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene?
The canonical SMILES for 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene is C=C(CCCCC)C1CCCC2CCCCC2CC1.
What is the InChIKey of 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene?
The InChIKey is RQTYPGOZXZUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-3-4-5-9-16(2)17-12-8-13-18-10-6-7-11-19(18)15-14-17/h17-19H,2-15H2,1H3.
What are the key properties of 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene?
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene has a molecular weight of 262.48 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene is sourced from PubChem (CID 90977490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).