2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol

C14H26O2 — CID 88815538

IUPAC2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol
SMILESC=C(CC(O)CCC(C)=CO)CC(C)(C)C
InChIInChI=1S/C14H26O2/c1-11(10-15)6-7-13(16)8-12(2)9-14(3,4)5/h10,13,15-16H,2,6-9H2,1,3-5H3
InChIKeyVZRPGFKPBSNJSC-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.97
Rot. Bonds6

About 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol

2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol (PubChem CID 88815538) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol.

Molecular Properties

Compound Name2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol
PubChem CID88815538
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol
SMILESC=C(CC(O)CCC(C)=CO)CC(C)(C)C
InChIInChI=1S/C14H26O2/c1-11(10-15)6-7-13(16)8-12(2)9-14(3,4)5/h10,13,15-16H,2,6-9H2,1,3-5H3
InChIKeyVZRPGFKPBSNJSC-UHFFFAOYSA-N
XLogP3.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol?
The IUPAC name of 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol (CID 88815538) is 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol.
What is the SMILES notation for 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol?
The canonical SMILES for 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol is C=C(CC(O)CCC(C)=CO)CC(C)(C)C.
What is the InChIKey of 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol?
The InChIKey is VZRPGFKPBSNJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(10-15)6-7-13(16)8-12(2)9-14(3,4)5/h10,13,15-16H,2,6-9H2,1,3-5H3.
What are the key properties of 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol?
2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol has a molecular weight of 226.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-7-methylidenedec-1-ene-1,5-diol is sourced from PubChem (CID 88815538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).