(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal

C19H36O — CID 162843019

IUPAC(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal
SMILESC=C(C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyPTFJEDBJXCZCDO-QZTJIDSGSA-N
MW280.50 g/mol
LogP6.18
Rot. Bonds13

About (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal

(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal (PubChem CID 162843019) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal.

Molecular Properties

Compound Name(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal
PubChem CID162843019
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal
SMILESC=C(C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyPTFJEDBJXCZCDO-QZTJIDSGSA-N
XLogP6.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal?
The IUPAC name of (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal (CID 162843019) is (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal.
What is the SMILES notation for (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal?
The canonical SMILES for (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal is C=C(C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal?
The InChIKey is PTFJEDBJXCZCDO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal?
(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal has a molecular weight of 280.50 g/mol, XLogP of 6.18, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal is sourced from PubChem (CID 162843019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).