1-methyl-3-prop-2-ynoxycyclotetradecane

C18H32O — CID 123352998

IUPAC1-methyl-3-prop-2-ynoxycyclotetradecane
SMILESC#CCOC1CCCCCCCCCCCC(C)C1
InChIInChI=1S/C18H32O/c1-3-15-19-18-14-12-10-8-6-4-5-7-9-11-13-17(2)16-18/h1,17-18H,4-16H2,2H3
InChIKeyFSFNXORIPWTFGW-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.34
Rot. Bonds2

About 1-methyl-3-prop-2-ynoxycyclotetradecane

1-methyl-3-prop-2-ynoxycyclotetradecane (PubChem CID 123352998) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-methyl-3-prop-2-ynoxycyclotetradecane.

Molecular Properties

Compound Name1-methyl-3-prop-2-ynoxycyclotetradecane
PubChem CID123352998
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-methyl-3-prop-2-ynoxycyclotetradecane
SMILESC#CCOC1CCCCCCCCCCCC(C)C1
InChIInChI=1S/C18H32O/c1-3-15-19-18-14-12-10-8-6-4-5-7-9-11-13-17(2)16-18/h1,17-18H,4-16H2,2H3
InChIKeyFSFNXORIPWTFGW-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-ynoxycyclotetradecane?
The IUPAC name of 1-methyl-3-prop-2-ynoxycyclotetradecane (CID 123352998) is 1-methyl-3-prop-2-ynoxycyclotetradecane.
What is the SMILES notation for 1-methyl-3-prop-2-ynoxycyclotetradecane?
The canonical SMILES for 1-methyl-3-prop-2-ynoxycyclotetradecane is C#CCOC1CCCCCCCCCCCC(C)C1.
What is the InChIKey of 1-methyl-3-prop-2-ynoxycyclotetradecane?
The InChIKey is FSFNXORIPWTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-15-19-18-14-12-10-8-6-4-5-7-9-11-13-17(2)16-18/h1,17-18H,4-16H2,2H3.
What are the key properties of 1-methyl-3-prop-2-ynoxycyclotetradecane?
1-methyl-3-prop-2-ynoxycyclotetradecane has a molecular weight of 264.45 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-ynoxycyclotetradecane is sourced from PubChem (CID 123352998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).