cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane

C16H26 — CID 162961670

IUPACcis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)[C@H]1CC(=C(C)C)CC[C@@]1(C)C(=C)C
InChIInChI=1S/C16H26/c1-11(2)14-8-9-16(7,13(5)6)15(10-14)12(3)4/h15H,3,5,8-10H2,1-2,4,6-7H3/t15-,16+/m1/s1
InChIKeyRVOXATXFYDNXRE-CVEARBPZSA-N
MW218.38 g/mol
LogP5.28
Rot. Bonds2

About cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane

cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 162961670) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane
PubChem CID162961670
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namecis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)[C@H]1CC(=C(C)C)CC[C@@]1(C)C(=C)C
InChIInChI=1S/C16H26/c1-11(2)14-8-9-16(7,13(5)6)15(10-14)12(3)4/h15H,3,5,8-10H2,1-2,4,6-7H3/t15-,16+/m1/s1
InChIKeyRVOXATXFYDNXRE-CVEARBPZSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane (CID 162961670) is cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane is C=C(C)[C@H]1CC(=C(C)C)CC[C@@]1(C)C(=C)C.
What is the InChIKey of cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is RVOXATXFYDNXRE-CVEARBPZSA-N. The full InChI is InChI=1S/C16H26/c1-11(2)14-8-9-16(7,13(5)6)15(10-14)12(3)4/h15H,3,5,8-10H2,1-2,4,6-7H3/t15-,16+/m1/s1.
What are the key properties of cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane?
cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-methyl-4-propan-2-ylidene-1,2-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 162961670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).