2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran

C19H34O — CID 54394043

IUPAC2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran
SMILESCC=CC1(C)CCC2CCCCCCCCCCC2O1
InChIInChI=1S/C19H34O/c1-3-15-19(2)16-14-17-12-10-8-6-4-5-7-9-11-13-18(17)20-19/h3,15,17-18H,4-14,16H2,1-2H3
InChIKeyVIRFOTAXPMLBTP-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.03
Rot. Bonds1

About 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran

2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran (PubChem CID 54394043) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran.

Molecular Properties

Compound Name2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran
PubChem CID54394043
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran
SMILESCC=CC1(C)CCC2CCCCCCCCCCC2O1
InChIInChI=1S/C19H34O/c1-3-15-19(2)16-14-17-12-10-8-6-4-5-7-9-11-13-18(17)20-19/h3,15,17-18H,4-14,16H2,1-2H3
InChIKeyVIRFOTAXPMLBTP-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran?
The IUPAC name of 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran (CID 54394043) is 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran.
What is the SMILES notation for 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran?
The canonical SMILES for 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran is CC=CC1(C)CCC2CCCCCCCCCCC2O1.
What is the InChIKey of 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran?
The InChIKey is VIRFOTAXPMLBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-15-19(2)16-14-17-12-10-8-6-4-5-7-9-11-13-18(17)20-19/h3,15,17-18H,4-14,16H2,1-2H3.
What are the key properties of 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran?
2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran has a molecular weight of 278.48 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-enyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b]pyran is sourced from PubChem (CID 54394043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).